Structure

InChI Key MICLTPPSCUXHJT-UHFFFAOYSA-M
Smiles O=C(CCn1cnc2c(=O)[nH]cnc21)Nc1ccc(C(=O)[O-])cc1.[K+]
InChI
InChI=1S/C15H13N5O4.K/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22;/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12KN5O4
Molecular Weight 365.39
AlogP 0.85
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 129.97
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 24.0

Cross References

Resources Reference
ChEMBL CHEMBL2146108
FDA SRS Q06WU8JY4F
PubChem 23663995
SureChEMBL SCHEMBL194354